4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid

C24H20ClN3O3 — CID 90683059

IUPAC4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid
SMILESCCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H20ClN3O3/c1-2-20-22(28-12-11-19(25)13-21(28)27-20)23(29)26-14-15-3-5-16(6-4-15)17-7-9-18(10-8-17)24(30)31/h3-13H,2,14H2,1H3,(H,26,29)(H,30,31)
InChIKeyOQHSVNPVVJLMNI-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.85
Rot. Bonds6

About 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid

4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid (PubChem CID 90683059) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid
PubChem CID90683059
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid
SMILESCCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H20ClN3O3/c1-2-20-22(28-12-11-19(25)13-21(28)27-20)23(29)26-14-15-3-5-16(6-4-15)17-7-9-18(10-8-17)24(30)31/h3-13H,2,14H2,1H3,(H,26,29)(H,30,31)
InChIKeyOQHSVNPVVJLMNI-UHFFFAOYSA-N
XLogP4.85
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid with MolForge

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Related Compounds

3-((2'-Carboxybiphenyl-4-yl)methyl)-2-cyclopropyl-7-methyl-3H-imidazo(4,5-b)pyridine
CID 131857
Zolpidem carboxylic acid
CID 11966044
6-chloro-N-[[4-(4-chlorophenyl)phenyl]methyl]-2-ethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 53469216
7-chloro-2-ethyl-N-[[4-(4-methylphenyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469219
6-chloro-2-ethyl-N-[[4-(4-methylphenyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234858
6-chloro-N-[[4-(4-cyanophenyl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 68235023
N-[[4-(4-tert-butylphenyl)phenyl]methyl]-7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 70675134
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
Aminoimidazo[1,2-a]pyridine deriv. 36
CID 5330622
4''-(2-Butyl-4-oxo-4,5-dihydro-imidazo[4,5-c]pyridin-3-ylmethyl)-biphenyl-2-carboxylic acid
CID 10092454
4-[14-(Carboxymethyl)-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-4-yl]benzoic acid
CID 18694066
4-[8-(2,6-Dimethylphenylamino)imidazo[1,5-a]-pyrazin-5-yl]benzoic acid
CID 44422549

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid?
The IUPAC name of 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid (CID 90683059) is 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid.
What is the SMILES notation for 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid?
The canonical SMILES for 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid is CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid?
The InChIKey is OQHSVNPVVJLMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-2-20-22(28-12-11-19(25)13-21(28)27-20)23(29)26-14-15-3-5-16(6-4-15)17-7-9-18(10-8-17)24(30)31/h3-13H,2,14H2,1H3,(H,26,29)(H,30,31).
What are the key properties of 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid?
4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid has a molecular weight of 433.90 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid is sourced from PubChem (CID 90683059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).